How to quote:

  • for all F12 calculations cite the implementation of RI-MP2-F12 in TURBOMOLE:
    The MP2-F12 Method in the TURBOMOLE Programm Package. Rafal A. Bachorz, Florian A. Bischoff, Andreas Glöß, Christof Hättig, Sebastian Höfener, Wim Klopper, David P. Tew, J. Comput. Chem. 32, 2492–2513 (2011).

  • for MP3(F12) and CCSD(F12):
    Quintuple-\(\zeta\) quality coupled-cluster correlation energies with triple-\(\zeta\) basis sets. David P. Tew, Wim Klopper, Christian Neiss, Christof Hättig, Phys. Chem. Chem. Phys. 9 921–1930 (2007).

  • for MP4(F12*), CCSD(F12*) and CCSD(F12*)(T):
    Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12. Christof Hättig, David P. Tew, Andreas Köhn, J. Chem. Phys. 132 231102 (2010).

  • for BCCD\(_{\mathrm{(F12*)}}\) and BCCD(T)\(_{\mathrm{(F12*)}}\):
    Explicitly correlated coupled-cluster theory with Brueckner orbitals. David P. Tew, J. Chem. Phys., 145, 074103 (2016).